SCHEMBL21473889

SCHEMBL21473889

CC(C)n1cnc2c(Nc3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc(NC3CCCCC3)nc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 4/20 0.54
▸ CLK1 P49759 9/20 0.51
▸ CLK2 P49760 9/20 0.51
▸ CLK4 Q9HAZ1 9/20 0.51
▸ CDK4 P11802 2/20 0.51
▸ CCND3 P30281 2/20 0.51
▸ CCNB1 P14635 2/20 0.51
▸ FLT3 P36888 1/20 0.47
▸ CDK5 Q00535 4/20 0.45
▸ CDK5R1 Q15078 4/20 0.45
▸ DYRK1A Q13627 2/20 0.44
▸ EGFR P00533 2/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ CCNE2 O96020 1/20 0.44
▸ CCNA2 P20248 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ CCNA1 P78396 1/20 0.44
▸ EIF2AK2 P19525 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ MERTK Q12866 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25736247 0.93 CDK1 (0.55) CDK1CLK1CLK2CLK4CDK4
SCHEMBL25736244 0.93 CDK1 (0.52) CDK1CLK1CLK2CLK4CDK4
SCHEMBL20550112 0.92 CDK5 (0.56) CDK1CLK1CLK2CLK4CDK4
SCHEMBL20550113 0.92 CDK5 (0.56) CDK1CLK1CLK2CLK4CDK4
SCHEMBL25737225 0.90 CDK1 (0.59) CDK1CLK1CLK2CLK4CDK4
SCHEMBL21472915 0.87 CDK5 (0.61) CDK1CLK1CLK2CLK4CDK4
SCHEMBL18113885 0.84 CDK5 (0.47) CDK1CDK4CCNB1CDK5CDK5R1
SCHEMBL25736248 0.83 CDK1 (0.61) CDK1CLK1CLK2CLK4CDK4
SCHEMBL25736246 0.83 CDK1 (0.59) CDK1CLK1CLK2CLK4CDK4
SCHEMBL6775420 0.82 CCNE2 (0.63) CDK1CDK2CCNE2CCNA2CCNE1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183240-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-15 — — US disclosed
US-20190315747-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-10-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190315747-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK3, CDK13, CDK1 CDK1 3/4885CLK1 338/4885CLK2 176/4885
US-20230183240-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK3, CDK13, CDK1 CDK1 3/4885CLK1 338/4885CLK2 176/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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